1-ethenylsulfonyl-2-fluoropyrrolidine

C6H10FNO2S — CID 174671019

IUPAC1-ethenylsulfonyl-2-fluoropyrrolidine
SMILESC=CS(=O)(=O)N1CCCC1F
InChIInChI=1S/C6H10FNO2S/c1-2-11(9,10)8-5-3-4-6(8)7/h2,6H,1,3-5H2
InChIKeyKQYOOCAXPIXIKT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.85
Rot. Bonds2

About 1-ethenylsulfonyl-2-fluoropyrrolidine

1-ethenylsulfonyl-2-fluoropyrrolidine (PubChem CID 174671019) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-ethenylsulfonyl-2-fluoropyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfonyl-2-fluoropyrrolidine
PubChem CID174671019
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC Name1-ethenylsulfonyl-2-fluoropyrrolidine
SMILESC=CS(=O)(=O)N1CCCC1F
InChIInChI=1S/C6H10FNO2S/c1-2-11(9,10)8-5-3-4-6(8)7/h2,6H,1,3-5H2
InChIKeyKQYOOCAXPIXIKT-UHFFFAOYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(Ethenesulfonyl)pyrrolidine
CID 15914515
3,3-Difluoro-1-(vinylsulfonyl)pyrrolidine
CID 58557782
1-(3,3,3-Trifluoropropylsulfonyl)pyrrolidine
CID 90460183
(3R)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 124082859
1-Ethenylsulfinyl-3,3-difluoropyrrolidine
CID 129130908
3-Fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 131966897
(3S)-3-fluoro-1-propan-2-ylsulfonylpyrrolidine
CID 134590493
1-Ethylsulfonyl-3-fluoropyrrolidine
CID 145194176
(3S)-1-ethylsulfonyl-3-fluoropyrrolidine
CID 145194184
(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine
CID 174338482
1-(2,2-Difluoroethylsulfonyl)pyrrolidine
CID 130620169
1-Ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine
CID 130631722

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-2-fluoropyrrolidine?
The IUPAC name of 1-ethenylsulfonyl-2-fluoropyrrolidine (CID 174671019) is 1-ethenylsulfonyl-2-fluoropyrrolidine.
What is the SMILES notation for 1-ethenylsulfonyl-2-fluoropyrrolidine?
The canonical SMILES for 1-ethenylsulfonyl-2-fluoropyrrolidine is C=CS(=O)(=O)N1CCCC1F.
What is the InChIKey of 1-ethenylsulfonyl-2-fluoropyrrolidine?
The InChIKey is KQYOOCAXPIXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c1-2-11(9,10)8-5-3-4-6(8)7/h2,6H,1,3-5H2.
What are the key properties of 1-ethenylsulfonyl-2-fluoropyrrolidine?
1-ethenylsulfonyl-2-fluoropyrrolidine has a molecular weight of 179.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-2-fluoropyrrolidine is sourced from PubChem (CID 174671019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).